[6-acetamido-9-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-acetamido-9-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [6-acetamido-9-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-acetamido-9-[2-(4-methyl-1-piperazinyl)ethyl]-1,2,3,4-tetrahydrocarbazol-3-yl] ester IUPAC Name: [6-acetamido-9-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-acetamido-9-[2-(4-methylpiperazino)ethyl]-1,2,3,4-tetrahydrocarbazol-3-yl] ester Formula: C28H36N4O4S MolecularWeight: 524.67484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=C(C2)C4=C(N3CCN5CCN(CC5)C)C=CC(=C4)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=C(C2)C4=C(N3CCN5CCN(CC5)C)C=CC(=C4)NC(=O)C

InChI

InChI=1S/C28H36N4O4S/c1-20-4-8-24(9-5-20)37(34,35)36-23-7-11-28-26(19-23)25-18-22(29-21(2)33)6-10-27(25)32(28)17-16-31-14-12-30(3)13-15-31/h4-6,8-10,18,23H,7,11-17,19H2,1-3H3,(H,29,33)